aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate

C19H20N4O4 — CID 170365162

IUPACaminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate
SMILESCCOc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1C(=O)OCN
InChIInChI=1S/C19H20N4O4/c1-2-26-16-8-7-12(9-14(16)19(25)27-11-20)10-21-18(24)17-13-5-3-4-6-15(13)22-23-17/h3-9H,2,10-11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyDNGUORGSLPDFCO-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.96
Rot. Bonds7

About aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate

aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate (PubChem CID 170365162) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate.

Molecular Properties

Compound Nameaminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate
PubChem CID170365162
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameaminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate
SMILESCCOc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1C(=O)OCN
InChIInChI=1S/C19H20N4O4/c1-2-26-16-8-7-12(9-14(16)19(25)27-11-20)10-21-18(24)17-13-5-3-4-6-15(13)22-23-17/h3-9H,2,10-11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyDNGUORGSLPDFCO-UHFFFAOYSA-N
XLogP1.96
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 110899639
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268865
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 99519272
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288266

Frequently Asked Questions

What is the IUPAC name of aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate?
The IUPAC name of aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate (CID 170365162) is aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate.
What is the SMILES notation for aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate?
The canonical SMILES for aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate is CCOc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1C(=O)OCN.
What is the InChIKey of aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate?
The InChIKey is DNGUORGSLPDFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-2-26-16-8-7-12(9-14(16)19(25)27-11-20)10-21-18(24)17-13-5-3-4-6-15(13)22-23-17/h3-9H,2,10-11,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate?
aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate has a molecular weight of 368.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate is sourced from PubChem (CID 170365162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).